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	hartrees
Energy at 0K	-36.587125
Energy at 298.15K	-36.588152
HF Energy	-36.348897
Nuclear repulsion energy	30.976824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3044	36.95
2	A'	1592	1538	313.35
3	A'	1325	1280	54.75
4	A'	655	633	214.70
5	A'	408	394	22.82
6	A"	887	857	8.35

Atom	x (Å)	y (Å)
C1	0.000	0.852
O2	1.185	1.232
Cl3	-0.504	-0.968
H4	-0.906	1.486

	C1	O2	Cl3	H4
C1		1.2444	1.8884	1.1057
O2	1.2444		2.7737	2.1060
Cl3	1.8884	2.7737		2.4867
H4	1.1057	2.1060	2.4867

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.280		O2	C1	H4	127.207
Cl3	C1	H4	109.513

All results from a given calculation for COHCl (Formyl chloride)

using model chemistry: MP2/CEP-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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